* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    127    199     370
    1     0 S   NP   _N1_     1    28.85147    94.13728   -17.23274
    2     1 S   H    _HN1     2     1.02930    75.78758   -19.51147
    3     1 S   H    _H1_     3     1.02863    49.79548   108.26965
    4     1 S   H    _H2_     4     1.02818    82.14043  -130.59242
    5     1 S   CT   _CA1     5     1.50048   159.99541    92.58333
    6     5 S   HC   _HA1     6     1.09564   105.27310    72.26015
    7     5 S   CO3  _C1_     7     1.53736   112.33756   -48.20167
    8     7 S   O2Z  _O11     8     1.26500   115.15972   -50.58003
    9     7 S   O2Z  _O12     9     1.26129   115.28778   129.28542
   10     5 S   CT   _CB1    10     1.53209   107.51905  -169.66675
   11    10 S   HC   HB11    11     1.09830   109.70691   -48.94128
   12    10 S   HC   HB12    12     1.09757   110.42081    67.62114
   13    10 S   CT   _CG1    13     1.53042   112.34765  -169.62773
   14    13 S   HC   HG11    14     1.09582   110.89814   -62.49735
   15    13 S   HC   HG12    15     1.09628   109.45541    56.41009
   16    13 S   C    _CD1    16     1.51821   111.86320   178.02444
   17    16 S   O    _OE1    17     1.22793   122.87980    27.43831
   18    16 S   N    _N2_    18     1.38406   112.27028  -154.10204
   19    18 S   H    _HN2    19     1.01537   119.33625     4.14227
   20    18 S   CT1  _CA2    20     1.45808   122.86264  -178.81073
   21    20 S   HC   _HA2    21     1.09520   108.61845    34.66798
   22    20 S   C    _C2_    22     1.53022   107.56438   -82.44668
   23    22 S   O    _O2_    23     1.22962   123.10876   -25.95436
   24    20 S   CT   _CB2    32     1.53091   112.05413   158.15164
   25    24 S   HC   HB21    33     1.09698   109.44145    60.88786
   26    24 S   HC   HB22    34     1.09550   111.40353   177.86027
   27    22 S   N    _N3_    24     1.38507   112.45520   156.77136
   28    27 S   H    _HN3    25     1.01649   120.40319    -2.50554
   29    24 S   S    _SG2    35     1.82600   113.97935   -57.92220
   30    27 S   CT   _CA3    26     1.45351   122.49280   178.56947
   31    30 S   HC   HA31    27     1.09566   107.88703   -54.23168
   32    30 S   HC   HA32    28     1.09559   107.55381    62.12394
   33    29 S   CT   _C13    36     1.82646   100.66490   -80.47157
   34    33 S   HC   _H15    37     1.09584   105.41130  -142.01205
   35    33 S   HC   _H16    38     1.09447   110.17860   -26.36994
   36    30 S   CO3  _C3_    29     1.52892   114.28751  -176.18263
   37    36 S   O2Z  _O31    30     1.26340   116.05293     0.10087
   38    36 S   O2Z  _O32    31     1.26433   114.41649  -179.95154
   39    33 S   CT   _C6_    39     1.52808   112.99504    98.71467
   40    39 S   HC   _H4_    40     1.09572   110.60436   -59.34226
   41    39 S   CT   _C5_    41     1.52510   111.58328   177.46565
   42    41 S   HC   _H3_    42     1.09675   111.38778   -37.44127
   43    41 S   CT   _C4_    43     1.51025   102.16358  -154.99673
   44    43 S   HC   _H7_    44     1.09491   112.84492   157.18607
   45    43 S   HC   _H8_    45     1.09422   110.32743   -84.29596
   46    41 S   OH   _O35    67     1.41276   111.46170    84.76367
   47    46 S   HO   _H17    68     0.97254   107.63676   173.67606
   48    43 S   CO   _C7_    46     1.52134   101.74264    36.72828
   49    48 S   HC   _H5_    47     1.09650   109.45186    87.61521
   50    48 S   N*   _N4_    48     1.45660   115.51781  -149.46861
   51    39 S   OS   _O33    66     1.43766   110.73493    60.33398
   52    50 S   CDX  _C8_    49     1.36825   127.30742    52.02154
   53    52 S   CT   _C11    50     1.50795   109.79279  -179.15489
   54    53 S   HC   _H6_    51     1.09268   111.75453   102.26021
   55    53 S   CG   _C10    52     1.46680   106.48459  -132.78101
   56    53 S   N    _N8_    62     1.43133    99.71840   -14.70850
   57    56 S   H    _H14    63     1.01464   125.25145  -177.50707
   58    55 S   NG   _N6_    53     1.32988   115.50877   -41.41506
   59    58 S   H    _H11    54     1.01838   117.40027  -177.83102
   60    55 S   NG   _N7_    59     1.32241   120.71375   140.29104
   61    60 S   H    _H12    60     1.01232   121.56972    -1.29377
   62    60 S   H    _H13    61     1.01667   119.78297  -179.96044
   63    50 S   C    _C12    64     1.38358   122.85971  -140.30280
   64    63 S   O    _O34    65     1.22361   127.80021     5.26202
   65    58 S   CT   _C9_    55     1.47228   120.52451     3.12518
   66    65 S   HC   _H9_    56     1.09540   109.20284   -83.69341
   67    65 S   HC   _H10    57     1.09301   107.53413   159.22893
   68    52 S   NI   _N5_    58     1.28929   125.97435     2.90124
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  12   6  10   7  10   6   5   3   1   9
   4  11   2  13  13   7  12   6   2   8   5   3   1   1   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    48    51    46  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    49    50    51    46    47  
   41    42    43    48    51    46  
   42    43    44    45    48    49    50    51    46    47  
   43    44    45    48    51    46    47  
   44    45    48    49    50    52    63    51    46    47  
   45    48    49    50    51    46  
   48    49    50    51    46  
   47    48    51  
    0  
   49    50    52    53    68    56    63    64    51  
   50    52    63    51  
   52    53    54    55    65    68    56    57    63    64    51  
   52    63  
   53    54    55    58    65    66    67    68    60    56    57    63    64  
   54    55    58    59    65    68    60    61    62    56    57    63    64  
   55    58    68    60    56    57    63  
   58    59    65    66    67    68    60    61    62    56    57    63  
   57    63    64    58    60    68  
   63    64  
   59    65    66    67    68    60    61    62  
   65    66    67    68    60  
   61    62    65  
   62  
    0  
   64    68  
    0  
   66    67    68  
   67    68  
   68  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   3.2500   0.1700  -0.367500   1.8100   1.6000   0.054801302  -1.445846770
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7500   0.1050   0.481500   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660   0.321800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.2500   0.0500   0.280700   2.0020   1.7750   0.023028004  -0.852763146
   56   3.2500   0.1700  -0.518100   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.340900   1.8650   1.6500   0.051222218  -2.220205820
   59   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   60   3.2500   0.1700  -0.747100   2.2900   2.0360   0.003973653   1.685851020
   61   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.0000   0.0000   0.460000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.813700   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660   0.349400   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2800   0.1700  -0.516000   1.8540   1.6400   0.005000000   0.000000000
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    51   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   250.000  1.527
   48    49   340.000  1.090
   48    50   275.000  1.479
   48    51   320.000  1.380
   50    52   360.000  1.429
   50    63   418.000  1.388
   52    53   260.000  1.508
   52    68   650.000  1.285
   53    54   340.000  1.090
   53    55   290.000  1.488
   53    56   337.000  1.449
   55    58   481.000  1.340
   55    60   481.000  1.340
   58    59   434.000  1.010
   58    65   337.000  1.463
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   315.000  1.435
   60    61   434.000  1.010
   60    62   434.000  1.010
   56    57   434.000  1.010
   56    63   490.000  1.335
   63    64   570.000  1.229
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    51    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    51    48    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    75.00000  109.43000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    45.00000  112.01100
   43    48    50    75.00000  107.44000
   43    48    51    90.00000  108.56700
   45    43    44    33.00000  107.80000
   48    43    44    45.00000  108.72000
   48    43    45    45.00000  108.72000
   48    50    52    70.00000  121.20000
   48    50    63    70.00000  117.60000
   50    48    49    55.00000  103.44000
   50    52    53    70.00000  106.88000
   50    52    68    80.00000  119.04400
   50    63    56    90.00000  111.91700
   50    63    64    80.00000  120.60000
   52    53    54    45.00000  109.58200
   52    53    55    60.00000  115.84000
   52    53    56    75.00000  110.78400
   52    68    65    75.00000  112.28000
   53    55    58    70.00000  119.45300
   53    55    60    70.00000  119.45300
   53    56    57    38.00000  118.40000
   53    56    63    50.00000  121.90000
   55    53    54    45.00000  109.33400
   55    58    59    35.00000  120.00000
   55    58    65    50.00000  123.20000
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    85.00000  110.25000
   65    58    59    35.00000  118.40000
   67    65    66    33.00000  107.80000
   68    52    53    70.00000  118.34500
   68    65    66    50.00000  110.29200
   68    65    67    50.00000  110.29200
   60    55    58    70.00000  120.00000
   62    60    61    35.00000  120.00000
   56    53    54    35.00000  109.50000
   56    53    55    75.00000  110.78400
   56    63    64    80.00000  122.90000
   63    50    52    70.00000  121.60000
   63    56    57    35.00000  119.80000
   51    39    40    35.00000  109.50000
   51    39    41    50.00000  109.50000
   51    48    49    35.00000  109.50000
   51    48    50   105.00000  106.22000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.56750  1.0 1.0
   29    33    39    51  -0.07550 -1.0 2.0
   29    33    39    51   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    46   0.86500  1.0 1.0
   33    39    41    46  -0.17500 -1.0 2.0
   33    39    41    46   0.20800  1.0 3.0
   33    39    51    48   0.06250  1.0 1.0
   33    39    51    48  -0.01100 -1.0 2.0
   33    39    51    48   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    48   3.97050  1.0 1.0
   39    41    46    47  -0.11600  1.0 1.0
   39    41    46    47  -0.09450 -1.0 2.0
   39    41    46    47   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    46   0.23400  1.0 3.0
   40    39    51    48   0.37050  1.0 3.0
   41    39   -51    48   0.06250  1.0 1.0
   41    39   -51    48  -0.01100 -1.0 2.0
   41    39   -51    48   0.28050  1.0 3.0
   41    43    48    49   0.15000  1.0 3.0
   41    43    48    50  -0.27100  1.0 1.0
   41    43    48    50  -0.01700 -1.0 2.0
   41    43    48    50  -0.48600  1.0 3.0
   41    43   -48    51   0.62750  1.0 1.0
   41    43   -48    51  -0.30950 -1.0 2.0
   41    43   -48    51   0.27300  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48    50    52   2.08450  1.0 1.0
   43    48    50    52  -0.39300 -1.0 2.0
   43    48    50    52   0.23400  1.0 3.0
   43    48    50    63  -0.43950  1.0 1.0
   43    48    50    63  -0.08100 -1.0 2.0
   43    48    50    63   0.03350  1.0 3.0
   43    48   -51    39   0.06250  1.0 1.0
   43    48   -51    39  -0.01100 -1.0 2.0
   43    48   -51    39   0.28050  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    51   0.23400  1.0 3.0
   48    50    52    53   3.62500 -1.0 2.0
   48    50    52    68   3.62500 -1.0 2.0
   48    50    63    56   3.62500 -1.0 2.0
   48    50    63    64   3.04450 -1.0 2.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    63   0.00000  1.0 1.0
   49    48    51    39   0.37050  1.0 3.0
   50    48    51    39  -2.37750  1.0 1.0
   50    48    51    39  -0.08150 -1.0 2.0
   50    48    51    39   0.59000  1.0 3.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55  -1.35150  1.0 1.0
   50    52    53    55   0.13900 -1.0 2.0
   50    52    53    55   0.25250  1.0 3.0
   50    52   -53    56   0.00000  1.0 1.0
   50    52    68    65   6.00000 -1.0 2.0
   52    50   -63    56   3.62500 -1.0 2.0
   52    50    63    64   2.67200 -1.0 2.0
   52    53    55    58  -1.35150  1.0 1.0
   52    53    55    58   0.13900 -1.0 2.0
   52    53    55    58   0.25250  1.0 3.0
   52    53    55    60  -1.35150  1.0 1.0
   52    53    55    60   0.13900 -1.0 2.0
   52    53    55    60   0.25250  1.0 3.0
   52    53    56    57   0.00000  1.0 1.0
   52    53   -56    63  -0.19250  1.0 1.0
   52    53   -56    63  -0.00500 -1.0 2.0
   52    53   -56    63   0.17000  1.0 3.0
   53    52    68    65   6.00000 -1.0 2.0
   53    55    58    59   1.50000 -1.0 2.0
   53    55   -58    65   6.00000 -1.0 2.0
   53    55    60    61   1.50000 -1.0 2.0
   53    55    60    62   1.50000 -1.0 2.0
   53    56   -63    50   4.56800  1.0 1.0
   53    56   -63    50   0.31650 -1.0 2.0
   53    56    63    64   3.04450 -1.0 2.0
   54    53    55    58   0.00000  1.0 1.0
   54    53    55    60   0.00000  1.0 1.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    63   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    63  -0.19250  1.0 1.0
   55    53    56    63  -0.00500 -1.0 2.0
   55    53    56    63   0.17000  1.0 3.0
   55    58    65    66   0.08850  1.0 3.0
   55    58    65    67   0.08850  1.0 3.0
   55    58    65    68  -0.12500  1.0 1.0
   55    58    65    68  -0.12500 -1.0 2.0
   55    58    65    68   0.25000  1.0 3.0
   58    55    60    61   1.50000 -1.0 2.0
   58    55    60    62   1.50000 -1.0 2.0
   58    65   -68    52  -0.12500  1.0 1.0
   58    65   -68    52  -0.12500 -1.0 2.0
   58    65   -68    52   0.25000  1.0 3.0
   59    58    65    66   0.00000  1.0 1.0
   59    58    65    67   0.00000  1.0 1.0
   59    58    65    68   0.00000  1.0 1.0
   66    65    68    52  -0.15000  1.0 3.0
   67    65    68    52  -0.15000  1.0 3.0
   68    52    53    54   0.00000  1.0 1.0
   68    52   -53    55   0.00000  1.0 1.0
   68    52    53    56   0.00000  1.0 1.0
   60    55    58    59   1.50000 -1.0 2.0
   60    55    58    65   3.96800 -1.0 2.0
   56    53    55    58   0.00000  1.0 1.0
   56    53    55    60   0.00000  1.0 1.0
   57    56    63    50   2.56700 -1.0 2.0
   57    56    63    64   2.45000 -1.0 2.0
   63    50   -52    53  -0.45200  1.0 1.0
   63    50   -52    53   0.85900 -1.0 2.0
   63    50   -52    53   0.16650  1.0 3.0
   63    50    52    68  -0.56400  1.0 1.0
   63    50    52    68   0.77500 -1.0 2.0
   63    50    52    68   0.18700  1.0 3.0
   51    39    41    42   0.23400  1.0 3.0
   51    39   -41    43   0.62750  1.0 1.0
   51    39   -41    43  -0.30950 -1.0 2.0
   51    39   -41    43   0.27300  1.0 3.0
   51    39    41    46   3.69350  1.0 1.0
   51    39    41    46  -1.82950 -1.0 2.0
   51    48    50    52  -0.28000  1.0 1.0
   51    48    50    52  -1.16550 -1.0 2.0
   51    48    50    63  -2.75650  1.0 1.0
   51    48    50    63  -1.18150 -1.0 2.0
   51    48    50    63   0.81900  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   63    52    50    48   1.00000 -1.0 2.0
   50    53    52    68  10.50000 -1.0 2.0
   58    53    55    60  10.50000 -1.0 2.0
   59    55    58    65   1.00000 -1.0 2.0
   61    62    60    55   1.00000 -1.0 2.0
   57    63    56    53   1.00000 -1.0 2.0
   50    56    63    64  10.50000 -1.0 2.0
END
